%mem=3000MB
%nprocshared=3 
#p opt=(calcfc,ts,noeigentest,maxstep=4) freq=noraman b3lyp/genecp
scrf=(smd,solvent=dichloromethane) nosymm empiricaldispersion=gd3

ch3br-OTf-ts_6311+Gd_ch2cl2

-1 1
 S                  1.13132200    0.97061700   -1.00000500
 O                  1.79518700    2.12374900   -0.35703700
 O                  1.28495300    0.85249600   -2.46292500
 O                  1.54607300   -0.35173500   -0.33215000
 C                  1.48343400   -0.43675200    1.61863700
 H                  1.96412600    0.51492200    1.75750500
 H                  0.41139200   -0.51025000    1.64317500
 H                  2.07645500   -1.33258600    1.58500800
 Br                 1.43089500   -0.66363000    4.19188900
 C                 -0.60870322    1.12222083   -0.65688911
 F                 -1.26359792    0.06138465   -1.17480755
 F                 -0.80220590    1.16234554    0.67856839
 F                 -1.07998734    2.25791265   -1.21419995

-H -C -N -O -P -B -S -Al -Cl -F -He -Si -As -Se 0
6-311+g*
****
Br     0
S   2   1.00
      1.1590000             -3.0378769
      0.7107000              3.3703735
S   1   1.00
      0.1905000              1.0000000
P   2   1.00
      2.6910000             -0.1189800
      0.4446000              1.0424471
P   1   1.00
      0.1377000              1.0000000
P   1   1.00
      0.0376                 1.0
D   1   1.00
      0.4340                 1.0
****

BR     0
BR-ECP     3     28
f potential
  4
1    213.6143969            -28.0000000
2     41.0585380           -134.9268852
2      8.7086530            -41.9271913
2      2.6074661             -5.9336420
s-f potential
  4
0     54.1980682              3.0000000
1     32.9053558             27.3430642
2     13.6744890            118.8028847
2      3.0341152             43.4354876
p-f potential
  5
0     54.2563340              5.0000000
1     26.0095593             25.0504252
2     28.2012995             92.6157463
2      9.4341061             95.8249016
2      2.5321764             26.2684983
d-f potential
  5
0     87.6328721              3.0000000
1     61.7373377             22.5533557
2     32.4385104            178.1241988
2      8.7537199             76.9924162
2      1.6633189              9.4818270



